[email protected]
CAS 101-55-3 4-Bromodiphenyl Ether molecular structure lightbox
CAS RN: 101-55-3

4-Bromodiphenyl Ether

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 100g In stock Shanghai, Shandong Inquiry
Batchno.20250925 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251117 500g In stock Shanghai Inquiry
Batchno.20250523 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-001822
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

101-55-3 / 1-bromo-4-phenoxybenzene

1-Bromo-4-phenoxybenzene | 4-Bromodiphenyl ether | 4-Bromophenyl phenyl ether

Standard CAS: 101-55-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101-55-3
Multi CAS
Yes
Molecular Formula
C12H9BrO
Molecular Weight
249.100000
Exact Mass
247.983680
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey
JDUYPUMQALQRCN-UHFFFAOYSA-N
Synonyms
1-Bromo-4-phenoxybenzene 4-Bromodiphenyl ether 4-Bromophenyl phenyl ether 4-Bromophenoxybenzene Benzene, 1-bromo-4-phenoxy-

Physical Properties

Melting Point
63 °F (NTP, 1992) 18.72 °C
Boiling Point
581 °F at 760 mmHg (NTP, 1992) 310.1 °C @ 760 MM HG BP: 124-8 °C @ 3-4 mm Hg
Density
1.4208 at 68 °F (NTP, 1992) - Denser than water; will sink 1.6088 @ 20 °C/4 °C
Physical Description
4-bromophenyl phenyl ether appears as liquid. Freezing point 18 °C. Density 1.423 g / cm3. Insoluble or slightly soluble in water. mp = 18.72 deg C; [HSDB] Liquid; mp = 18 deg C; [CAMEO] Colorless liquid; mp = 17-18 deg C
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.66
TPSA
9.23

LogP / Solubility

WLOGP
4.24
MLOGP
3.74
XLogP3
4.4
Consensus LogP
4.13
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (28.6%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (28.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (33.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501

Customers Also Viewed

Get In Touch

Contact Us